1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide

C16H28N4O2 — CID 111695343

IUPAC1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide
SMILESCN1CCN(CC(O)CN(C)C(=O)C2(C#N)CCCC2)CC1
InChIInChI=1S/C16H28N4O2/c1-18-7-9-20(10-8-18)12-14(21)11-19(2)15(22)16(13-17)5-3-4-6-16/h14,21H,3-12H2,1-2H3
InChIKeyAQZRJKFHKCDHNX-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.14
Rot. Bonds5

About 1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide

1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 111695343) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide
PubChem CID111695343
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide
SMILESCN1CCN(CC(O)CN(C)C(=O)C2(C#N)CCCC2)CC1
InChIInChI=1S/C16H28N4O2/c1-18-7-9-20(10-8-18)12-14(21)11-19(2)15(22)16(13-17)5-3-4-6-16/h14,21H,3-12H2,1-2H3
InChIKeyAQZRJKFHKCDHNX-UHFFFAOYSA-N
XLogP0.14
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 110012447
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclohexanecarboxamide
CID 111695301
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
CID 105417788
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
CID 105417802
1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 56828911
1-cyano-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183405
1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115183353
3-[(2R,6S)-2,6-dimethylcyclohexyl]-1-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 97223836
1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115759979
1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
CID 111758296
1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 95607164

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide (CID 111695343) is 1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide is CN1CCN(CC(O)CN(C)C(=O)C2(C#N)CCCC2)CC1.
What is the InChIKey of 1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is AQZRJKFHKCDHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-18-7-9-20(10-8-18)12-14(21)11-19(2)15(22)16(13-17)5-3-4-6-16/h14,21H,3-12H2,1-2H3.
What are the key properties of 1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide?
1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 111695343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).